4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one
TL;DR: 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one (CAS 83231-80-5) is a chemical compound with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one
Also Known As: ChemDiv3_008934, 4-chloro-3-pyrrolidinomethylcoumarin, IDI1_026844, 4-chloro-3-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one, 4-chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one
| Molecular Formula | C14H14ClNO2 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07132 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 83231-80-5 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C3=CC=CC=C3OC2=O)Cl |
| InChIKey | SJRURPAAESSENI-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one (CAS 83231-80-5), with molecular formula C14H14ClNO2 and molecular weight 263.07 g/mol. IUPAC: 4-chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one
Property Insights of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The CAS number of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one is 83231-80-5.
What is the molecular formula of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The molecular formula of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one is C14H14ClNO2.
What is the molecular weight of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
The molecular weight of 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one is 263.07 g/mol.
Where can I buy 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
You can request a quote for 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(pyrrolidin-1-ylmethyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.